SCHEMBL20955433

SCHEMBL20955433

CCCCN(C(=O)OC(C)(C)C)c1ccc(N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.44
CHRM2 P08172 3/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
HTR1A P08908 1/20 0.44
GAA P10253 1/20 0.44
DRD3 P35462 1/20 0.44
SCN1A P35498 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KCNH2 Q12809 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
MLYCD O95822 3/20 0.40
TSHR P16473 3/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PDE4D Q08499 1/20 0.40
MAPT P10636 2/20 0.40
CHRM1 P11229 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16142413 0.91 L3MBTL1 (0.40) CYP3A4CHRM2LMNACYP1A2CYP2D6
SCHEMBL18011040 0.90 CYP3A4 (0.41) CYP3A4LMNACYP1A2CYP2D6TSHR
SCHEMBL8466175 0.85 TP53 (0.51) CYP3A4CHRM2CYP1A2GAAMLYCD
SCHEMBL28836938 0.85 SSTR4 (0.38) CYP3A4LMNACYP1A2CYP2D6MLYCD
SCHEMBL27696712 0.85 CYP3A4 (0.36) CYP3A4LMNACYP1A2CYP2D6TSHR
SCHEMBL4738587 0.85 TSHR (0.43) CYP3A4LMNACYP1A2CYP2D6MLYCD
SCHEMBL29143436 0.84 LTB4R2 (0.44) CHRM2MLYCDTSHRMAPTCHRM1
SCHEMBL55543 0.84 PHLPP2 (0.43) CYP3A4CYP2D6MLYCDTSHRCYP2C9
SCHEMBL6208339 0.83 MLYCD (0.39) CHRM2MLYCDCHRM1CHRM3NPC1
SCHEMBL6208342 0.83 NPC1 (0.41) CYP3A4CHRM2CYP1A2GAAMLYCD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3480193-B1 PYRAZOLE DERIVATIVES AS ALK5 INHIBITORS AND USES THEREOF HANMI PHARMACEUTICAL CO LTD (KR) 2024-05-29 EP disclosed
US-10954232-B2 Pyrazole derivative as ALK5 inhibitor and uses thereof HANMI PHARMACEUTICAL CO., LTD. (KR) 2021-03-23 US disclosed
US-20190194198-A1 NOVEL PYRAZOLE DERIVATIVE AS ALK5 INHIBITOR AND USES THEREOF HANMI PHARMACEUTICAL CO., LTD. (KR) 2019-06-27 US disclosed
EP-3480193-A1 NOVEL PYRAZOLE DERIVATIVE AS ALK5 INHIBITOR AND USES THEREOF Hanmi Pharmaceutical Co., Ltd. (KR) 2019-05-08 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190194198-A1 NOVEL PYRAZOLE DERIVATIVE AS ALK5 INHIBITOR AND USES THEREOF ALK, SMAD3, TGFBR1 CYP3A4 3887/4885CHRM2 2279/4885LMNA 3741/4885
US-10954232-B2 Pyrazole derivative as ALK5 inhibitor and uses thereof ALK, SMAD3, TGFBR1 CYP3A4 4017/4885CHRM2 2053/4885LMNA 3354/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.